(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C13H11F2N3O2 — CID 124759582

IUPAC(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC[C@H](c2ncon2)C1
InChIInChI=1S/C13H11F2N3O2/c14-10-2-1-8(5-11(10)15)13(19)18-4-3-9(6-18)12-16-7-20-17-12/h1-2,5,7,9H,3-4,6H2/t9-/m0/s1
InChIKeyGXEYUOSBPDCSSO-VIFPVBQESA-N
MW279.25 g/mol
LogP1.98
Rot. Bonds2

About (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 124759582) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID124759582
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC[C@H](c2ncon2)C1
InChIInChI=1S/C13H11F2N3O2/c14-10-2-1-8(5-11(10)15)13(19)18-4-3-9(6-18)12-16-7-20-17-12/h1-2,5,7,9H,3-4,6H2/t9-/m0/s1
InChIKeyGXEYUOSBPDCSSO-VIFPVBQESA-N
XLogP1.98
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 124891749
(3-methylsulfanylphenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892543
3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 124891483
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
2H-benzotriazol-5-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118789435
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102331
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 124761234
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124760375
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019587

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 124759582) is (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CC[C@H](c2ncon2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GXEYUOSBPDCSSO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H11F2N3O2/c14-10-2-1-8(5-11(10)15)13(19)18-4-3-9(6-18)12-16-7-20-17-12/h1-2,5,7,9H,3-4,6H2/t9-/m0/s1.
What are the key properties of (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 279.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124759582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).